diff --git a/applications/qmc/dwa/dwa.cpp b/applications/qmc/dwa/dwa.cpp index 863305d8c..ca534c953 100644 --- a/applications/qmc/dwa/dwa.cpp +++ b/applications/qmc/dwa/dwa.cpp @@ -70,7 +70,29 @@ void << "\n* DEALINGS IN THE SOFTWARE." << "\n*" << "\n*****************************************************************************/" - << "\n\n"; + << "\n\n" + << "\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!" + << "\n\n" + << "\n! WARNING WARNING WARNING " + << "\n\n" + << "\n! This code is deprecated and will be removed in a future version of ALPS. " + << "\n! Meanwhile, we refer to an open source code with similar functionality which " + << "\n! can be found here: " + << "\n! N. Sadoune and L. Pollet, Efficient and scalable path integral Monte Carlo " + << "\n! simulations with worm-type updates for Bose-Hubbard and XXZ models " + << "\n! https://scipost.org/SciPostPhysCodeb.9 " + << "\n! doi:10.21468/SciPostPhysCodeb.9 " + << "\n! doi:10.21468/SciPostPhysCodeb.9-r1.0 " + << "\n! https://github.com/LodePollet/worm " + << "\n!" + << "\n! Note that for the ALPS DWA code I currently cannot guarantee the results of " + << "\n! the momentum distribution nor of the TOF images. Only real space densities " + << "\n! and quantities such as the winding number have been tested for on-site " + << "\n! interactions. " + << "\n! Contact: Lode Pollet " + << "\n\n" + << "\n!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!" + << "\n\n\n\n"; } void @@ -999,9 +1021,9 @@ void std::cout << " Valid : "; #endif - std::cout << "Checkpoint Sweep " << _sweep_counter - << " ... Probability : " << probability_worm_insertion() << " / " << probability_bounce() - ; + //std::cout << "Checkpoint Sweep " << _sweep_counter + // << " ... Probability : " << probability_worm_insertion() << " / " << probability_bounce() + // ; // measurements if (measure_) @@ -1014,11 +1036,11 @@ void if (measure_simulation_speed_) { std::time(&_simulation_timer.second); - std::cout << " ... speed = " << std::difftime(_simulation_timer.second, _simulation_timer.first); + //std::cout << " ... speed = " << std::difftime(_simulation_timer.second, _simulation_timer.first); std::time(&_simulation_timer.first); } - std::cout << "\n"; + //std::cout << "\n"; } void diff --git a/lib/pyalps/plot.py b/lib/pyalps/plot.py index e51bd4c91..fffd2972d 100644 --- a/lib/pyalps/plot.py +++ b/lib/pyalps/plot.py @@ -150,8 +150,8 @@ def plot3D(sets, centeredAtOrigin=False, layer=None): if len(shape) < 2 or len(shape) > 3: return; - x = np.arange(shape[0]); - y = np.arange(shape[1]); + x = np.arange(shape[0], dtype = float); + y = np.arange(shape[1], dtype = float); if centeredAtOrigin: x -= (shape[0]-1)/2. y -= (shape[1]-1)/2. @@ -162,7 +162,7 @@ def plot3D(sets, centeredAtOrigin=False, layer=None): if layer == None: # column integrate Z = np.sum(Z, axis=2); elif layer == "center": - Z = Z[:,:,shape[2]/2] + Z = Z[:,:,shape[2]//2] else: Z = Z[:,:,layer] diff --git a/tutorials/dwa-01-bosons/dwa-01-bosons.vt b/tutorials/dwa-01-bosons/dwa-01-bosons.vt deleted file mode 100644 index 88e7d2d80..000000000 Binary files a/tutorials/dwa-01-bosons/dwa-01-bosons.vt and /dev/null differ diff --git a/tutorials/dwa-01-bosons/parm1b b/tutorials/dwa-01-bosons/parm1b index fb68b23fc..28da74614 100644 --- a/tutorials/dwa-01-bosons/parm1b +++ b/tutorials/dwa-01-bosons/parm1b @@ -5,7 +5,7 @@ Nmax = 2; U = 1.0; mu = 0.5; -T = 0.05; +T = 0.1; SWEEPS=2000000; THERMALIZATION=150000; diff --git a/tutorials/dwa-02-density-profile/dwa-02-density-profile.vt b/tutorials/dwa-02-density-profile/dwa-02-density-profile.vt deleted file mode 100644 index 27eda549a..000000000 Binary files a/tutorials/dwa-02-density-profile/dwa-02-density-profile.vt and /dev/null differ diff --git a/tutorials/dwa-02-density-profile/parm2a b/tutorials/dwa-02-density-profile/parm2a index cdc2a2ec4..cacec797a 100644 --- a/tutorials/dwa-02-density-profile/parm2a +++ b/tutorials/dwa-02-density-profile/parm2a @@ -1,17 +1,18 @@ -LATTICE="inhomogeneous simple cubic lattice" -L=120 +LATTICE="inhomogeneous simple cubic lattice"; +L=21; -MODEL="boson Hubbard" -Nmax=20 - -t=1. -U=8.11 -mu="4.05 - (0.0073752*(x-(L-1)/2.)*(x-(L-1)/2.) + 0.0036849*(y-(L-1)/2.)*(y-(L-1)/2.) + 0.0039068155*(z-(L-1)/2.)*(z-(L-1)/2.))" +MODEL="boson Hubbard"; +Nmax=5; -THERMALIZATION=1500 -SWEEPS=7000 -SKIP=50 +t=1.; +U=8.11; +mu="4.05 - (0.2*(x-(L-1)/2.)*(x-(L-1)/2.) + 0.2*(y-(L-1)/2.)*(y-(L-1)/2.) + 0.2*(z-(L-1)/2.)*(z-(L-1)/2.))"; -MEASURE[Local Density]=1 -{ T=1. } +THERMALIZATION=2000; +SWEEPS=20000; +SKIP=10; + +MEASURE[Local Density]=1; + +{ T=1.; } diff --git a/tutorials/dwa-02-density-profile/parm2b b/tutorials/dwa-02-density-profile/parm2b index 81228faf9..664a2e841 100644 --- a/tutorials/dwa-02-density-profile/parm2b +++ b/tutorials/dwa-02-density-profile/parm2b @@ -1,17 +1,18 @@ -LATTICE="inhomogeneous simple cubic lattice" -L=60 +LATTICE="inhomogeneous simple cubic lattice"; +L=21; -MODEL="boson Hubbard" -Nmax=20 - -t=1. -U=60. -mu="40. - (0.09416*(x-(L-1)/2.)*(x-(L-1)/2.) + 0.12955*(y-(L-1)/2.)*(y-(L-1)/2.) + 0.11496*(z-(L-1)/2.)*(z-(L-1)/2.))" +MODEL="boson Hubbard"; +Nmax=5; -THERMALIZATION=1000000 -SWEEPS=3000000 -SKIP=1000 +t=1.; +U=60; +mu="30.0 - (0.2*(x-(L-1)/2.)*(x-(L-1)/2.) + 0.2*(y-(L-1)/2.)*(y-(L-1)/2.) + 0.2*(z-(L-1)/2.)*(z-(L-1)/2.))"; -MEASURE[Local Density]=1 -{ T=1. } +THERMALIZATION=100000; +SWEEPS=2000000; +SKIP=1000; + +MEASURE[Local Density]=1; + +{ T=1.; } diff --git a/tutorials/dwa-02-density-profile/tutorial2a.py b/tutorials/dwa-02-density-profile/tutorial2a.py index 5e10ec658..da2057a8a 100644 --- a/tutorials/dwa-02-density-profile/tutorial2a.py +++ b/tutorials/dwa-02-density-profile/tutorial2a.py @@ -33,20 +33,20 @@ parms = [ { 'LATTICE' : 'inhomogeneous simple cubic lattice' , - 'L' : 120 , + 'L' : 21 , 'MODEL' : 'boson Hubbard' , - 'Nmax' : 20 , + 'Nmax' : 5 , 't' : 1. , 'U' : 8.11 , - 'mu' : '4.05 - (0.0073752*(x-(L-1)/2.)*(x-(L-1)/2.) + 0.0036849*(y-(L-1)/2.)*(y-(L-1)/2.) + 0.0039068155*(z-(L-1)/2.)*(z-(L-1)/2.))' , + 'mu' : '4.05 - (0.2*(x-(L-1)/2.)*(x-(L-1)/2.) + 0.2*(y-(L-1)/2.)*(y-(L-1)/2.) + 0.2*(z-(L-1)/2.)*(z-(L-1)/2.))' , 'T' : 1. , - 'THERMALIZATION' : 1500 , - 'SWEEPS' : 7000 , - 'SKIP' : 50 , + 'THERMALIZATION' : 2000, + 'SWEEPS' : 20000, + 'SKIP' : 10, 'MEASURE[Local Density]': 1 } diff --git a/tutorials/dwa-02-density-profile/tutorial2b.py b/tutorials/dwa-02-density-profile/tutorial2b.py index 8113520d1..e27031483 100644 --- a/tutorials/dwa-02-density-profile/tutorial2b.py +++ b/tutorials/dwa-02-density-profile/tutorial2b.py @@ -33,19 +33,19 @@ parms = [ { 'LATTICE' : 'inhomogeneous simple cubic lattice' , - 'L' : 60 , + 'L' : 21 , 'MODEL' : 'boson Hubbard' , - 'Nmax' : 20 , + 'Nmax' : 5 , 't' : 1. , 'U' : 60. , - 'mu' : '40. - (0.09416*(x-(L-1)/2.)*(x-(L-1)/2.) + 0.12955*(y-(L-1)/2.)*(y-(L-1)/2.) + 0.11496*(z-(L-1)/2.)*(z-(L-1)/2.))' , + 'mu' : '30. - (0.2*(x-(L-1)/2.)*(x-(L-1)/2.) + 0.2*(y-(L-1)/2.)*(y-(L-1)/2.) + 0.2*(z-(L-1)/2.)*(z-(L-1)/2.))' , 'T' : 1. , - 'THERMALIZATION' : 1000000 , - 'SWEEPS' : 3000000 , + 'THERMALIZATION' : 100000 , + 'SWEEPS' : 2000000 , 'SKIP' : 1000 , 'MEASURE[Local Density]': 1